4-N-tert-butyl-1-N-[2-(2,4-dichlorophenyl)ethyl]cyclohexane-1,4-dicarboxamide

C20H28Cl2N2O2 — CID 109149558

IUPAC4-N-tert-butyl-1-N-[2-(2,4-dichlorophenyl)ethyl]cyclohexane-1,4-dicarboxamide
SMILESCC(C)(C)NC(=O)C1CCC(C(=O)NCCc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C20H28Cl2N2O2/c1-20(2,3)24-19(26)15-6-4-14(5-7-15)18(25)23-11-10-13-8-9-16(21)12-17(13)22/h8-9,12,14-15H,4-7,10-11H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyZZHSYOBUJPKIJN-UHFFFAOYSA-N
MW399.36 g/mol
LogP4.37
Rot. Bonds5

About 4-N-tert-butyl-1-N-[2-(2,4-dichlorophenyl)ethyl]cyclohexane-1,4-dicarboxamide

4-N-tert-butyl-1-N-[2-(2,4-dichlorophenyl)ethyl]cyclohexane-1,4-dicarboxamide (PubChem CID 109149558) has the molecular formula C20H28Cl2N2O2 and a molecular weight of 399.36 g/mol. Its IUPAC name is 4-N-tert-butyl-1-N-[2-(2,4-dichlorophenyl)ethyl]cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-tert-butyl-1-N-[2-(2,4-dichlorophenyl)ethyl]cyclohexane-1,4-dicarboxamide
PubChem CID109149558
Molecular FormulaC20H28Cl2N2O2
Molecular Weight399.36 g/mol
Exact Mass398.15
IUPAC Name4-N-tert-butyl-1-N-[2-(2,4-dichlorophenyl)ethyl]cyclohexane-1,4-dicarboxamide
SMILESCC(C)(C)NC(=O)C1CCC(C(=O)NCCc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C20H28Cl2N2O2/c1-20(2,3)24-19(26)15-6-4-14(5-7-15)18(25)23-11-10-13-8-9-16(21)12-17(13)22/h8-9,12,14-15H,4-7,10-11H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyZZHSYOBUJPKIJN-UHFFFAOYSA-N
XLogP4.37
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.36
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-[2-(2,4-dichlorophenyl)ethyl]-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144341
4-N-cyclopropyl-1-N-[2-(2,4-dichlorophenyl)ethyl]cyclohexane-1,4-dicarboxamide
CID 109144732
N-[2-(2,4-dichlorophenyl)ethylcarbamoyl]cyclopropanecarboxamide
CID 110866286
N-[2-[[N-[3-(2,4-dichlorophenyl)propyl]-N'-methylcarbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111720369
N-[2-(2,4-dichlorophenyl)ethyl]-1-methylpyrrolidine-2-carboxamide
CID 110856253
N-[2-[[N'-[(2,4-dichlorophenyl)methyl]-N-ethylcarbamimidoyl]amino]ethyl]cyclopropanecarboxamide;hydroiodide
CID 111197929
N-[2-(2,4-dichlorophenyl)ethyl]-3-methylpyrrolidine-2-carboxamide
CID 102777056
(3R)-N-[2-(2,4-dichlorophenyl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 51937367
N-[1-(2,4-dichlorophenyl)-2-methylpropan-2-yl]piperidine-4-carboxamide;hydrochloride
CID 119339810
N-[2-(2,4-dichlorophenyl)ethyl]-3-methylpiperidine-2-carboxamide
CID 107067147
N-[5-[2-(2,4-dichlorophenyl)ethylamino]-2-pyridinyl]cyclopropanecarboxamide
CID 113031057
3-amino-N-[2-(2,4-dichlorophenyl)ethyl]-2,2-dimethylpropanamide
CID 81484637

Frequently Asked Questions

What is the IUPAC name of 4-N-tert-butyl-1-N-[2-(2,4-dichlorophenyl)ethyl]cyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N-tert-butyl-1-N-[2-(2,4-dichlorophenyl)ethyl]cyclohexane-1,4-dicarboxamide (CID 109149558) is 4-N-tert-butyl-1-N-[2-(2,4-dichlorophenyl)ethyl]cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N-tert-butyl-1-N-[2-(2,4-dichlorophenyl)ethyl]cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N-tert-butyl-1-N-[2-(2,4-dichlorophenyl)ethyl]cyclohexane-1,4-dicarboxamide is CC(C)(C)NC(=O)C1CCC(C(=O)NCCc2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of 4-N-tert-butyl-1-N-[2-(2,4-dichlorophenyl)ethyl]cyclohexane-1,4-dicarboxamide?
The InChIKey is ZZHSYOBUJPKIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28Cl2N2O2/c1-20(2,3)24-19(26)15-6-4-14(5-7-15)18(25)23-11-10-13-8-9-16(21)12-17(13)22/h8-9,12,14-15H,4-7,10-11H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of 4-N-tert-butyl-1-N-[2-(2,4-dichlorophenyl)ethyl]cyclohexane-1,4-dicarboxamide?
4-N-tert-butyl-1-N-[2-(2,4-dichlorophenyl)ethyl]cyclohexane-1,4-dicarboxamide has a molecular weight of 399.36 g/mol, XLogP of 4.37, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-tert-butyl-1-N-[2-(2,4-dichlorophenyl)ethyl]cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109149558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).